N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

C16H30N4 — CID 105073949

IUPACN'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C16H30N4/c1-16(2,3)18-12-14-8-9-17-13-15(14)20(6)11-7-10-19(4)5/h8-9,13,18H,7,10-12H2,1-6H3
InChIKeyVOAMRJAWDFHWNJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.36
Rot. Bonds7

About N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 105073949) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID105073949
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C16H30N4/c1-16(2,3)18-12-14-8-9-17-13-15(14)20(6)11-7-10-19(4)5/h8-9,13,18H,7,10-12H2,1-6H3
InChIKeyVOAMRJAWDFHWNJ-UHFFFAOYSA-N
XLogP2.36
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
CID 105072835
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
4-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 105072928
N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
CID 105072707
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 83179650
3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine
CID 81248000
N-[(5-bromothiophen-3-yl)methyl]-4-[(tert-butylamino)methyl]-N-methylpyridin-3-amine
CID 105073535
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine
CID 105073982
4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
CID 105072970
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699739

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 105073949) is N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1cnccc1CNC(C)(C)C.
What is the InChIKey of N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is VOAMRJAWDFHWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-16(2,3)18-12-14-8-9-17-13-15(14)20(6)11-7-10-19(4)5/h8-9,13,18H,7,10-12H2,1-6H3.
What are the key properties of N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 105073949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).